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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078376

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.83
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.83
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.83
KDP2-KETO-DEOXY-GALACTOSEA2V820.95
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.71
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.78
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.74
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.74
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.74
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.74
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.74
GLOD-GLUCOSE IN LINEAR FORMA1AC00.74
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.74
LGTL-GLUCARIC ACIDA,B,C,D3CB30.83
LGTL-GLUCARIC ACIDA,B,C2PP30.83
RUBRIBULOSE-1,5-DIPHOSPHATEA,B9RUB0.77
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V		1RCX0.77
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,L1RXO0.77
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1N890.71
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1TUK0.71
XBPXYLULOSE-1,5-BISPHOSPHATEA,B,C,D,E,F,
G,H		1RSC0.77
FUDD-fructoseA,B,C,D2QUN0.75
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.76
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.79
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.79
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.72
TAGD-tagatoseA,B,C,D2QUM0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEL1RLC0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z		1IR20.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H		1RBL0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W		1UW90.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D4RUB0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G8RUC0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,D,E,H,K,
O,R,V		1UWA0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDH0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V630.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W		1UZD0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDI0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G,I,K,
M,O		1GK80.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V6A0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1UPP0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V690.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W		1UZH0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1BWV0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,E,S,W1WDD0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V		1UPM0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,S,T,
U,V		1IR10.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V670.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,L1RBO0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V680.78
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY0.85
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.81
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.76
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.76
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.76
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.77
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		M1E6X0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B2E400.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A2VWG0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B3EQO0.75
PA55-PHOSPHOARABINONIC ACIDA1NUH0.85
PA55-PHOSPHOARABINONIC ACIDA1X820.85
PA55-PHOSPHOARABINONIC ACIDA,B1QXR0.85
PA55-PHOSPHOARABINONIC ACIDA,B1G980.85
PA55-PHOSPHOARABINONIC ACIDA,B1TZC0.85
PA55-PHOSPHOARABINONIC ACIDA1GZV0.85
PA55-PHOSPHOARABINONIC ACIDA1X7N0.85
PA55-PHOSPHOARABINONIC ACIDA1C7R0.85
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.75
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.85
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.85
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.85
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.85
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.85
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.85
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID		A2AGS0.72
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.85
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEB,C,D,E,F,G,H3GK00.72
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,E,F,G1M5W0.72
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,D1IXN0.72
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B1Q0Q0.72
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE		A1X6U0.81
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.89
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2NX30.89
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.93
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.93
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.93
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.93
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.93
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL		A1HFA0.71
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL		A2H3V0.71
P6F1,6-di-O-phosphono-D-fructoseA,B3GB60.85
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.86
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.86
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.86
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.86
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.86
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.86
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.78
LI52-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATEA,B1YCD0.77
GCOGLUCONIC ACIDB,C,D1BGG0.81
GCOGLUCONIC ACIDA,B1XLF0.81
CKP(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-
5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-
2-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2DCN0.82
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.93
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.93
DNOD-mannoseA3BDK0.74
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.8
R105-O-phosphono-D-ribonic acidA,B,C,D,E2VVQ0.85
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid		A,B3E120.97
HMS5-O-phosphono-L-ribuloseA,B1XBX0.78
GKRD-GLUCARATEA3CXT0.83
GKRD-GLUCARATEA,B1JCT0.83
CS2D-MANNONIC ACIDA,B,C,D2QJM0.81
CS2D-MANNONIC ACIDA,B3DBN0.81
5RPRIBULOSE-5-PHOSPHATEA,B1XBY0.78
5RPRIBULOSE-5-PHOSPHATEA,B1XBX0.78
5RPRIBULOSE-5-PHOSPHATEA1UJ50.78
5RPRIBULOSE-5-PHOSPHATEA,B1PVY0.78
5RPRIBULOSE-5-PHOSPHATEA2RIU0.78
5RPRIBULOSE-5-PHOSPHATEA,B1SNN0.78
5RPRIBULOSE-5-PHOSPHATEA,B1TKU0.78
5RPRIBULOSE-5-PHOSPHATEA,B3HHE0.78
5RPRIBULOSE-5-PHOSPHATEA,B1XBV0.78
5RPRIBULOSE-5-PHOSPHATEA,B,C2ISS0.78
5RPRIBULOSE-5-PHOSPHATEA,B,C2IYP0.78
5RPRIBULOSE-5-PHOSPHATEA,B,C,D,E2VVP0.78
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.76
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.93
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1XAI0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1NVD0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A1XAG0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1NR50.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1XAJ0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1XAL0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1DQS0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1NVB0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B,C1NVF0.76
AOSD-ALLOSEA,B,C,D2I570.74
PII2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-
PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-
1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE		A1GZQ0.72
R525-O-phosphono-D-riboseA,B,C,D,E2VVP0.75
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.74
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.75